Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 3/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | MAOB | P27338 | 3/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31182032 | 0.84 | MAOB (0.54) | PIN1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL16550480 | 0.82 | PIN1 (1.00) | PIN1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL4446447 | 0.78 | PIN1 (0.56) | PIN1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL91765 | 0.78 | PIN1 (0.53) | PIN1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL20541971 | 0.78 | HDAC3 (0.68) | PIN1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL31182035 | 0.78 | LMNA (0.64) | MAPTKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL16550483 | 0.76 | PIN1 (1.00) | PIN1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL4446446 | 0.76 | PIN1 (0.56) | PIN1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL31182008 | 0.76 | KMT2A (0.54) | PIN1MAPTKMT2AMEN1KDM4E | |
| SCHEMBL12189396 | 0.76 | KMT2A (0.69) | MAPTNPC1RAB9AKMT2AMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118878508-A | DC-Rhoin derivative, preparation method and application thereof | 广东省中医院（广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院） | 2024-11-01 | — | — | CN | disclosed |